Project name: SH3_N113T

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113T
Energy difference between WT (input) and mutated protein (by FoldX)	0.859402 kcal/mol Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

• Minimal score value: -3.0989
• Maximal score value: 1.7964
• Average score: -0.9253
• Total score value: -52.741

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
85	T	A	0.5173
86	L	A	0.7932
87	F	A	0.9238
88	V	A	0.4313
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6217
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.0989
99	D	A	-3.0326
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2018
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.4727
111	I	A	0.0494
112	L	A	0.3055
113	T	A	-0.4540	mutated: NA113T
114	S	A	-0.9477
115	S	A	-1.4572
116	E	A	-2.4433
117	G	A	-2.0604
118	D	A	-2.3769
119	W	A	-1.0007
120	W	A	-0.8889
121	E	A	-0.9720
122	A	A	0.0000
123	R	A	-1.7209
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6908
131	G	A	-1.4825
132	Y	A	-0.7702
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9039
136	N	A	-1.1473
137	Y	A	-0.1221
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964